SCHEMBL13754182

SCHEMBL13754182

CC(C)(C)SC[C@H]1NC(=O)CNC1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12910736 0.80 HDAC8 (0.39) HRH3ITGB3ITGAV
SCHEMBL4402038 0.80 HRH3 (0.36) HRH3ITGB3ITGAV
SCHEMBL12910759 0.80 HRH3 (0.36) HRH3ITGB3ITGAV
SCHEMBL12334337 0.80 HRH3 (0.36) HRH3ITGB3ITGAV
SCHEMBL14671244 0.79
SCHEMBL23974015 0.77 HRH3 (0.35) HRH3
SCHEMBL12019159 0.77 HRH3 (0.37) HRH3ITGB3ITGAV
SCHEMBL13078421 0.77 HRH3 (0.35) HRH3ITGB3ITGAV
SCHEMBL13644716 0.77 HRH3 (0.35) HRH3
SCHEMBL13043126 0.77 HRH3 (0.35) HRH3ITGB3ITGAV

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009100431-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2009-08-13 WO disclosed